1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

C₈H₁₁F₆N₃O₅S₂CAS 174899-86-6407.30 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₈H₁₁F₆N₃O₅S₂
Molar mass: 407.30 g/mol
Exact mass: 407.0044 Da
logP: 0.36Crippen estimate
Polar surface area: 111.4 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

174899-86-6

SMILES

C[N+]1=CN(C=C1)CCO.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F

InChIKey

GIIZYNGNGTZORC-UHFFFAOYSA-N

InChI

InChI=1S/C6H11N2O.C2F6NO4S2/c1-7-2-3-8(6-7)4-5-9;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-3,6,9H,4-5H2,1H3;/q+1;-1

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Names and synonyms

1 names

1-(2-Hydroxyethyl)-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Work with 1-(2-Hydroxyethyl)-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Bistriflimide82113-65-3Free acid Lithium bis(trifluoromethanesulfonyl)imide90076-65-6Salt 1-Butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-83-3Salt 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide174899-82-2Salt 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide223437-11-4Salt 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide169051-76-7Salt 1-Allyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide655249-87-9Salt 1-Butyl-2,3-dimethylimidazolium bis(trifluoromethylsulfonyl)imide350493-08-2Salt 1-Decyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide433337-23-6Salt Sliver bis(trifluoromethane sulfonimide)189114-61-2Salt 1-Butylpyridinium bis(trifluoromethylsulfonyl)imide187863-42-9Salt Potassium bis(trifluoromethanesulfonly)imide90076-67-8Salt

Similar compounds

1-Butyl-3-methylimidazolium trifluoromethanesulfonate174899-66-249 % similar 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate460345-16-847 % similar 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate145022-44-247 % similar 1-Butyl-3-methylimidazolium hydrogen sulfate262297-13-241 % similar 1-Butyl-3-methylimidazolium methanesulfonate342789-81-539 % similar 1-Methyl-3-propylimidazolium iodide119171-18-538 % similar 1-Propyl-3-methylimidazolium bromide85100-76-138 % similar 1-Butyl-3-methylimidazolium hexafluorophosphate174501-64-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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